2'-fluoro-biphenyl-4-carbonyl chloride | 80643-98-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2'-fluoro-biphenyl-4-carbonyl chloride
• 英文别名: 2'-Fluoro[1,1'-biphenyl]-4-carbonyl chloride；4-(2-fluorophenyl)benzoyl chloride
• CAS: 80643-98-7
• 化学式: C₁₃H₈ClFO
• 分子量: 234.657
• InChiKey: LBIICRCBKQVBCA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  methyl (2S,4EZ)-4-(methoxyimino)-1-[(2'-fluoro[1,1'-biphenyl]-4-yl)carbonyl]-2-pyrrolidinecarboxylate 、 2-氟联苯-4-羧酸 、 草酰氯 在 N,N-二甲基甲酰胺 ice 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以affording the corresponding acyl chloride, 2′-fluoro[1,1′biphenyl]-4-carbonyl chloride的产率得到
  参考文献：
  名称：

  Pyrrolidine ester derivatives with oxytocin modulating activity

  摘要：

  本发明涉及使用公式（I）的吡咯烷酯治疗和/或预防早产、早产和痛经。特别地，本发明涉及使用公式（I）的吡咯烷酯来调节，尤其是拮抗催产素受体。本发明还涉及新型吡咯烷酯。X选自CR6R7、NOR6、NNR6R7组成的群；R选自C1-C6烷基、C2-C6烯基、C2-C6炔基、饱和或不饱和的3-8环脂肪基，其中可能含有1-3个选自N、O、S、芳基、杂芳基、C1-C6烷基芳基、C1-C6烷基杂芳基的杂原子。R1选自C1-C6烷基、C2-C6烯基、C2-C6炔基、芳基、杂芳基、3-8环脂肪基、酰基、C1-C6烷基芳基、C1-C6烷基杂芳基，所述环脂肪基或芳基或杂芳基基团可以与1-2个进一步的环脂肪基或芳基或杂芳基基团融合。

  公开号：

  US07189754B2

文献信息

• PHARMACEUTICALLY ACTIVE PYRROLIDINE ESTER DERIVATIVES
  申请人：Schwarz Matthias

  公开号：US20070129381A1

  公开（公告）日：2007-06-07

  The present invention is related to the use of pyrrolidine esters of formula (I) for the treatment and/or prevention of premature labor, premature birth and dysmenorrhea. In particular, the present invention is related to the use of pyrrolidine esters of formula (I) to modulate, notably to antagonise the oxytocin receptor. The present invention is furthermore related to novel pyrrolidine esters. X is selected from the group consisting of CR 6 R 7 , NOR 6 , NNR 6 R 7 ; R is selected from the group comprising or consisting of C 1 -C 6 alkyl, C 2 -C 6 alkenyl, C 2 -C 6 alkynyl, saturated or unsaturated 3-8-membered cycloalkyl which may contain 1 to 3 heteroatoms selected of N, O, S, aryl, heteroaryl, C 1 -C 6 -alkyl aryl, C 1 -C 6 -alkyl heteroaryl. R 1 is selected from the group comprising or consisting of C 1 -C 6 -alkyl, C 2 -C 6 -alkenyl, C 2 -C 6 -alkynyl, aryl, heteroaryl, 3-8-membered cycloalkyl, acyl, C 1 -C 6 -alkyl aryl, C 1 -C 6 -alkyl heteroaryl, said cycloalkyl or aryl or heteroaryl groups may be fused with 1-2 further cycloalkyl or aryl or heteroaryl group.

  本发明涉及使用式（I）的吡咯烷酯治疗和/或预防早产、早产和痛经。特别地，本发明涉及使用式（I）的吡咯烷酯来调节，特别是拮抗催产素受体。本发明还涉及新型吡咯烷酯。其中，X选自CR6R7、NOR6、NNR6R7组成的群；R选自C1-C6烷基、C2-C6烯基、C2-C6炔基、饱和或不饱和的3-8环成员的环烷基，可含1-3个选自N、O、S、芳基、杂芳基、C1-C6烷基芳基、C1-C6烷基杂芳基的杂原子；R1选自C1-C6烷基、C2-C6烯基、C2-C6炔基、芳基、杂芳基、3-8环成员的环烷基、酰基、C1-C6烷基芳基、C1-C6烷基杂芳基，所述环烷基或芳基或杂芳基基团可以与1-2个进一步的环烷基或芳基或杂芳基基团融合。
• Pyrrolidine ester derivatives active as oxytocin antagonists
  申请人：Applied Research Systems ARS Holding N.V.

  公开号：EP1829861A2

  公开（公告）日：2007-09-05

  The present invention is related to the use of pyrrolidine esters of formula (I) for the treatment and/or prevention of premature labor, premature birth and dysmenorrhea. In particular, the present invention is related to the use of pyrrolidine esters of formula (I) to modulate, notably to antagonise the oxytocin receptor. The present invention is furthermore related to novel pyrrolidine esters. X is selected from the group consisting of CR6R7, NOR6, NNR6R7; R is selected from the group comprising or consisting of C1-C6 alkyl, C2-C6 alkenyl, C2-C6 alkynyl, saturated or unsaturated 3-8-membered cycloalkyl which may contain 1 to 3 heteroatoms selected of N, O, S, aryl, heteroaryl, C1-C6-alkyl aryl, C1-C6-alkyl heteroaryl. R1 is selected from the group comprising or consisting of C1-C6-alkyl, C2-C6-alkenyl, C2-C6-alkynyl, aryl, heteroaryl, 3-8-membered cycloalkyl, acyl, C1-C6-alkyl aryl, C1-C6-alkyl heteroaryl, said cycloalkyl or aryl or heteroaryl groups may be fused with 1-2 further cycloalkyl or aryl or heteroaryl group.

  本发明涉及式（I）吡咯烷酯用于治疗和/或预防早产、早产和痛经。特别是，本发明涉及使用式（I）吡咯烷酯调节，尤其是拮抗催产素受体。本发明还涉及新型吡咯烷酯。X选自由CR6R7、NOR6、NNR6R7组成的组；R选自由C1-C6烷基、C2-C6烯基、C2-C6炔基、饱和或不饱和3-8元环烷基组成的组，其中可含有1-3个选自N、O、S、芳基、杂芳基、C1-C6-烷基芳基、C1-C6-烷基杂芳基的杂原子。R1 选自包括或组成如下的基团：C1-C6-烷基、C2-C6-烯基、C2-C6-炔基、芳基、杂芳基、3-8 元环烷基、酰基、C1-C6-烷基芳基、C1-C6-烷基杂芳基，所述环烷基或芳基或杂芳基可再与 1-2 个环烷基或芳基或杂芳基融合。
• PYRROLIDINE ESTER DERIVATIVES WITH OXYTOCIN MODULATING ACTIVITY
  申请人：Laboratoires Serono SA

  公开号：EP1390347B1

  公开（公告）日：2008-05-07
• US7189754B2
  申请人：——

  公开号：US7189754B2

  公开（公告）日：2007-03-13
• [EN] PYRROLIDINE ESTER DERIVATIVES WITH OXYTOCIN MODULATING ACITVITY<br/>[FR] DERIVES D'ESTER DE PYRROLIDINE MODULANT L'OCYTOCINE
  申请人：APPLIED RESEARCH SYSTEMS

  公开号：WO2002074741A1

  公开（公告）日：2002-09-26

  The present invention is related to the use of pyrrolidine esters of formula (I) for the treatment and/or prevention of premature labor, premature birth and dysmenorrhea. In particular, the present invention is related to the use of pyrrolidine esters of formula (I) to modulate, notably to antagonise the oxytocin receptor. The present invention is furthermore related to novel pyrrolidine esters. X is selected from the group consisting of CR?6R7, NOR6, NNR6R7¿;R is selected from the group comprising or consisting of C¿1?-C6 alkyl, C2-C6 alkenyl, C2-C6 alkynyl, saturated or unsaturated 3-8-membered cycloalkyl which may contain 1 to 3 heteroatoms selected of N, O, S, aryl, heteroaryl, C1-C6-alkyl aryl, C1-C6-alkyl heteroaryl. R?1¿ is selected from the group comprising or consisting of C¿1?-C6-alkyl, C2-C6-alkenyl, C2-C6-alkynyl, aryl, heteroaryl, 3-8-membered cycloalkyl, acyl, C1-C6-alkyl aryl, C1-C6-alkyl heteroaryl, said cycloalkyl or aryl or heteroaryl groups may be fused with 1-2 further cycloalkyl or aryl or heteroaryl group.